USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 87:sc= 1.01 USER MOD Set 1.2: A 63 ASN : amide:sc= -2.6! C(o=-1.6!,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0524 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.37) USER MOD Single : A 11 CYS SG : rot 35:sc=-0.00475 USER MOD Single : A 15 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.1) USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= 0.49 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 26 SER OG : rot -73:sc= 1.24 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -175:sc= -1.03 (180deg=-1.09) USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= 0.0517 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 1.23 (180deg=-0.266) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0968 X(o=-0.097,f=-0.021) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 44:sc= 0.459 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -125:sc= -0.968 (180deg=-3.23!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc= 0 USER MOD Single : A 86 SER OG : rot 123:sc= 0.701 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 19:sc= 0.578 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.595 0.389 -16.191 1.00 0.00 N ATOM 2 CA GLY A 1 -9.493 -0.666 -16.623 1.00 0.00 C ATOM 3 C GLY A 1 -10.945 -0.350 -16.325 1.00 0.00 C ATOM 4 O GLY A 1 -11.324 0.816 -16.216 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.932 0.617 -16.959 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.147 1.236 -15.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.062 0.071 -15.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.372 -0.826 -17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.218 -1.598 -16.129 1.00 0.00 H new ATOM 8 N SER A 2 -11.761 -1.391 -16.195 1.00 0.00 N ATOM 9 CA SER A 2 -13.182 -1.219 -15.914 1.00 0.00 C ATOM 10 C SER A 2 -13.396 -0.703 -14.494 1.00 0.00 C ATOM 11 O SER A 2 -13.115 -1.401 -13.520 1.00 0.00 O ATOM 12 CB SER A 2 -13.926 -2.542 -16.106 1.00 0.00 C ATOM 13 OG SER A 2 -15.313 -2.387 -15.862 1.00 0.00 O ATOM 0 H SER A 2 -11.463 -2.363 -16.280 1.00 0.00 H new ATOM 0 HA SER A 2 -13.579 -0.483 -16.613 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.771 -2.906 -17.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.517 -3.294 -15.432 1.00 0.00 H new ATOM 0 HG SER A 2 -15.766 -3.246 -15.993 1.00 0.00 H new ATOM 19 N SER A 3 -13.895 0.524 -14.386 1.00 0.00 N ATOM 20 CA SER A 3 -14.144 1.136 -13.086 1.00 0.00 C ATOM 21 C SER A 3 -15.545 1.738 -13.028 1.00 0.00 C ATOM 22 O SER A 3 -16.163 2.001 -14.059 1.00 0.00 O ATOM 23 CB SER A 3 -13.100 2.217 -12.800 1.00 0.00 C ATOM 24 OG SER A 3 -13.156 3.250 -13.768 1.00 0.00 O ATOM 0 H SER A 3 -14.135 1.114 -15.183 1.00 0.00 H new ATOM 0 HA SER A 3 -14.070 0.359 -12.326 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.268 2.635 -11.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.105 1.773 -12.795 1.00 0.00 H new ATOM 0 HG SER A 3 -12.480 3.929 -13.561 1.00 0.00 H new ATOM 30 N GLY A 4 -16.040 1.953 -11.813 1.00 0.00 N ATOM 31 CA GLY A 4 -17.364 2.521 -11.641 1.00 0.00 C ATOM 32 C GLY A 4 -18.382 1.493 -11.190 1.00 0.00 C ATOM 33 O GLY A 4 -18.853 1.534 -10.053 1.00 0.00 O ATOM 0 H GLY A 4 -15.547 1.744 -10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.318 3.327 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.691 2.963 -12.582 1.00 0.00 H new ATOM 37 N SER A 5 -18.725 0.570 -12.082 1.00 0.00 N ATOM 38 CA SER A 5 -19.698 -0.470 -11.771 1.00 0.00 C ATOM 39 C SER A 5 -19.449 -1.050 -10.382 1.00 0.00 C ATOM 40 O SER A 5 -20.267 -0.894 -9.476 1.00 0.00 O ATOM 41 CB SER A 5 -19.640 -1.583 -12.819 1.00 0.00 C ATOM 42 OG SER A 5 -20.274 -1.184 -14.022 1.00 0.00 O ATOM 0 H SER A 5 -18.343 0.521 -13.027 1.00 0.00 H new ATOM 0 HA SER A 5 -20.690 -0.020 -11.785 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.601 -1.843 -13.021 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.123 -2.479 -12.430 1.00 0.00 H new ATOM 0 HG SER A 5 -20.222 -1.912 -14.676 1.00 0.00 H new ATOM 48 N SER A 6 -18.312 -1.720 -10.223 1.00 0.00 N ATOM 49 CA SER A 6 -17.954 -2.327 -8.947 1.00 0.00 C ATOM 50 C SER A 6 -16.818 -1.558 -8.278 1.00 0.00 C ATOM 51 O SER A 6 -15.646 -1.893 -8.444 1.00 0.00 O ATOM 52 CB SER A 6 -17.547 -3.788 -9.149 1.00 0.00 C ATOM 53 OG SER A 6 -18.663 -4.582 -9.514 1.00 0.00 O ATOM 0 H SER A 6 -17.623 -1.856 -10.963 1.00 0.00 H new ATOM 0 HA SER A 6 -18.828 -2.287 -8.297 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.782 -3.852 -9.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.105 -4.176 -8.231 1.00 0.00 H new ATOM 0 HG SER A 6 -18.377 -5.511 -9.639 1.00 0.00 H new ATOM 59 N GLY A 7 -17.176 -0.525 -7.521 1.00 0.00 N ATOM 60 CA GLY A 7 -16.176 0.275 -6.839 1.00 0.00 C ATOM 61 C GLY A 7 -15.358 1.120 -7.796 1.00 0.00 C ATOM 62 O GLY A 7 -15.272 0.816 -8.986 1.00 0.00 O ATOM 0 H GLY A 7 -18.140 -0.228 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.667 0.925 -6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.510 -0.381 -6.279 1.00 0.00 H new ATOM 66 N VAL A 8 -14.755 2.184 -7.276 1.00 0.00 N ATOM 67 CA VAL A 8 -13.940 3.076 -8.092 1.00 0.00 C ATOM 68 C VAL A 8 -12.491 3.082 -7.620 1.00 0.00 C ATOM 69 O VAL A 8 -12.189 3.541 -6.518 1.00 0.00 O ATOM 70 CB VAL A 8 -14.484 4.517 -8.064 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.696 5.404 -9.016 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.965 4.533 -8.410 1.00 0.00 C ATOM 0 H VAL A 8 -14.816 2.449 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.985 2.699 -9.114 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.365 4.913 -7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.095 6.418 -8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.648 5.416 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.780 5.014 -10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.333 5.559 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.110 4.119 -9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.515 3.933 -7.685 1.00 0.00 H new ATOM 82 N GLN A 9 -11.598 2.570 -8.460 1.00 0.00 N ATOM 83 CA GLN A 9 -10.179 2.516 -8.128 1.00 0.00 C ATOM 84 C GLN A 9 -9.402 3.590 -8.882 1.00 0.00 C ATOM 85 O GLN A 9 -9.899 4.163 -9.852 1.00 0.00 O ATOM 86 CB GLN A 9 -9.609 1.134 -8.454 1.00 0.00 C ATOM 87 CG GLN A 9 -9.923 0.664 -9.864 1.00 0.00 C ATOM 88 CD GLN A 9 -8.854 -0.252 -10.426 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.969 0.185 -11.162 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.929 -1.532 -10.079 1.00 0.00 N ATOM 0 H GLN A 9 -11.832 2.186 -9.376 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.075 2.701 -7.059 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.528 1.155 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.005 0.410 -7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.880 0.142 -9.864 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.033 1.531 -10.516 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.680 -1.851 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.236 -2.196 -10.425 1.00 0.00 H new ATOM 99 N ARG A 10 -8.182 3.859 -8.429 1.00 0.00 N ATOM 100 CA ARG A 10 -7.337 4.865 -9.060 1.00 0.00 C ATOM 101 C ARG A 10 -5.878 4.418 -9.078 1.00 0.00 C ATOM 102 O ARG A 10 -5.533 3.372 -8.526 1.00 0.00 O ATOM 103 CB ARG A 10 -7.463 6.201 -8.325 1.00 0.00 C ATOM 104 CG ARG A 10 -8.876 6.762 -8.319 1.00 0.00 C ATOM 105 CD ARG A 10 -8.905 8.193 -7.804 1.00 0.00 C ATOM 106 NE ARG A 10 -8.849 8.251 -6.345 1.00 0.00 N ATOM 107 CZ ARG A 10 -8.448 9.320 -5.667 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.071 10.416 -6.313 1.00 0.00 N ATOM 109 NH2 ARG A 10 -8.425 9.296 -4.341 1.00 0.00 N ATOM 0 H ARG A 10 -7.757 3.394 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.673 4.991 -10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.128 6.073 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.795 6.926 -8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.286 6.729 -9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.514 6.137 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.063 8.746 -8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.813 8.685 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.134 7.425 -5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.089 10.439 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.763 11.236 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.716 8.456 -3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.117 10.118 -3.821 1.00 0.00 H new ATOM 123 N CYS A 11 -5.028 5.215 -9.715 1.00 0.00 N ATOM 124 CA CYS A 11 -3.607 4.900 -9.806 1.00 0.00 C ATOM 125 C CYS A 11 -2.761 6.036 -9.239 1.00 0.00 C ATOM 126 O CYS A 11 -2.793 7.159 -9.743 1.00 0.00 O ATOM 127 CB CYS A 11 -3.215 4.633 -11.260 1.00 0.00 C ATOM 128 SG CYS A 11 -3.658 5.964 -12.401 1.00 0.00 S ATOM 0 H CYS A 11 -5.298 6.084 -10.176 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.420 4.003 -9.216 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.139 4.469 -11.311 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.694 3.711 -11.591 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.543 7.109 -11.797 1.00 0.00 H new ATOM 134 N VAL A 12 -2.007 5.737 -8.186 1.00 0.00 N ATOM 135 CA VAL A 12 -1.153 6.732 -7.549 1.00 0.00 C ATOM 136 C VAL A 12 0.321 6.381 -7.718 1.00 0.00 C ATOM 137 O VAL A 12 0.706 5.215 -7.622 1.00 0.00 O ATOM 138 CB VAL A 12 -1.470 6.865 -6.048 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.122 5.580 -5.313 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.725 8.049 -5.450 1.00 0.00 C ATOM 0 H VAL A 12 -1.970 4.813 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.355 7.684 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.539 7.042 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.353 5.693 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.704 4.756 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.059 5.369 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.960 8.129 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.348 7.904 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.028 8.964 -5.958 1.00 0.00 H new ATOM 150 N ILE A 13 1.140 7.396 -7.969 1.00 0.00 N ATOM 151 CA ILE A 13 2.573 7.194 -8.149 1.00 0.00 C ATOM 152 C ILE A 13 3.364 7.822 -7.007 1.00 0.00 C ATOM 153 O ILE A 13 3.100 8.955 -6.604 1.00 0.00 O ATOM 154 CB ILE A 13 3.061 7.788 -9.484 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.463 7.014 -10.660 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.581 7.767 -9.548 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.799 7.610 -12.009 1.00 0.00 C ATOM 0 H ILE A 13 0.837 8.366 -8.052 1.00 0.00 H new ATOM 0 HA ILE A 13 2.742 6.117 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 13 2.728 8.824 -9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.821 5.985 -10.627 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.379 6.978 -10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.911 8.190 -10.497 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.988 8.357 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.934 6.739 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.342 7.010 -12.796 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.417 8.629 -12.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.881 7.621 -12.143 1.00 0.00 H new ATOM 169 N ILE A 14 4.336 7.078 -6.490 1.00 0.00 N ATOM 170 CA ILE A 14 5.169 7.563 -5.396 1.00 0.00 C ATOM 171 C ILE A 14 6.650 7.397 -5.717 1.00 0.00 C ATOM 172 O ILE A 14 7.079 6.342 -6.182 1.00 0.00 O ATOM 173 CB ILE A 14 4.854 6.826 -4.080 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.363 6.929 -3.756 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.690 7.394 -2.943 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.915 5.986 -2.661 1.00 0.00 C ATOM 0 H ILE A 14 4.566 6.138 -6.811 1.00 0.00 H new ATOM 0 HA ILE A 14 4.944 8.622 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 14 5.107 5.773 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.134 7.952 -3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.788 6.723 -4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.457 6.864 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.748 7.273 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.465 8.453 -2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.847 6.114 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.112 4.957 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.463 6.206 -1.745 1.00 0.00 H new ATOM 188 N GLN A 15 7.426 8.446 -5.463 1.00 0.00 N ATOM 189 CA GLN A 15 8.860 8.415 -5.724 1.00 0.00 C ATOM 190 C GLN A 15 9.652 8.524 -4.425 1.00 0.00 C ATOM 191 O GLN A 15 9.178 9.092 -3.442 1.00 0.00 O ATOM 192 CB GLN A 15 9.252 9.552 -6.670 1.00 0.00 C ATOM 193 CG GLN A 15 9.140 10.932 -6.043 1.00 0.00 C ATOM 194 CD GLN A 15 7.707 11.420 -5.958 1.00 0.00 C ATOM 195 OE1 GLN A 15 6.891 11.142 -6.838 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.393 12.152 -4.896 1.00 0.00 N ATOM 0 H GLN A 15 7.086 9.327 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 15 9.098 7.461 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.277 9.397 -7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.617 9.512 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.572 10.908 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.727 11.641 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.101 12.358 -4.191 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.444 12.508 -4.785 1.00 0.00 H new ATOM 205 N LYS A 16 10.862 7.974 -4.428 1.00 0.00 N ATOM 206 CA LYS A 16 11.722 8.009 -3.251 1.00 0.00 C ATOM 207 C LYS A 16 12.422 9.359 -3.129 1.00 0.00 C ATOM 208 O LYS A 16 13.128 9.787 -4.042 1.00 0.00 O ATOM 209 CB LYS A 16 12.761 6.888 -3.320 1.00 0.00 C ATOM 210 CG LYS A 16 13.782 7.072 -4.429 1.00 0.00 C ATOM 211 CD LYS A 16 14.657 5.840 -4.592 1.00 0.00 C ATOM 212 CE LYS A 16 15.387 5.848 -5.926 1.00 0.00 C ATOM 213 NZ LYS A 16 15.656 4.468 -6.420 1.00 0.00 N ATOM 0 H LYS A 16 11.269 7.498 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 16 11.097 7.863 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.282 6.828 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.248 5.937 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.268 7.281 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.408 7.937 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.382 5.797 -3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.042 4.943 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.792 6.388 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.329 6.386 -5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.668 4.369 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.391 3.779 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.098 4.292 -7.279 1.00 0.00 H new ATOM 227 N ASP A 17 12.223 10.022 -1.996 1.00 0.00 N ATOM 228 CA ASP A 17 12.838 11.322 -1.753 1.00 0.00 C ATOM 229 C ASP A 17 14.071 11.183 -0.865 1.00 0.00 C ATOM 230 O ASP A 17 15.113 11.779 -1.136 1.00 0.00 O ATOM 231 CB ASP A 17 11.831 12.273 -1.104 1.00 0.00 C ATOM 232 CG ASP A 17 10.581 12.452 -1.942 1.00 0.00 C ATOM 233 OD1 ASP A 17 10.030 11.434 -2.410 1.00 0.00 O ATOM 234 OD2 ASP A 17 10.153 13.610 -2.130 1.00 0.00 O ATOM 0 H ASP A 17 11.641 9.681 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 17 13.149 11.734 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.555 11.890 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.301 13.244 -0.947 1.00 0.00 H new ATOM 239 N GLN A 18 13.943 10.393 0.196 1.00 0.00 N ATOM 240 CA GLN A 18 15.047 10.178 1.125 1.00 0.00 C ATOM 241 C GLN A 18 15.584 8.755 1.011 1.00 0.00 C ATOM 242 O GLN A 18 15.742 8.058 2.014 1.00 0.00 O ATOM 243 CB GLN A 18 14.594 10.452 2.560 1.00 0.00 C ATOM 244 CG GLN A 18 15.745 10.673 3.529 1.00 0.00 C ATOM 245 CD GLN A 18 16.272 12.093 3.495 1.00 0.00 C ATOM 246 OE1 GLN A 18 17.205 12.404 2.753 1.00 0.00 O ATOM 247 NE2 GLN A 18 15.677 12.965 4.300 1.00 0.00 N ATOM 0 H GLN A 18 13.087 9.892 0.434 1.00 0.00 H new ATOM 0 HA GLN A 18 15.848 10.871 0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.950 11.331 2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.992 9.613 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.414 10.437 4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.554 9.983 3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.908 12.664 4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.989 13.936 4.320 1.00 0.00 H new ATOM 256 N HIS A 19 15.863 8.329 -0.217 1.00 0.00 N ATOM 257 CA HIS A 19 16.382 6.988 -0.461 1.00 0.00 C ATOM 258 C HIS A 19 15.413 5.928 0.052 1.00 0.00 C ATOM 259 O HIS A 19 15.828 4.881 0.546 1.00 0.00 O ATOM 260 CB HIS A 19 17.746 6.817 0.210 1.00 0.00 C ATOM 261 CG HIS A 19 18.804 7.721 -0.344 1.00 0.00 C ATOM 262 ND1 HIS A 19 19.556 7.407 -1.456 1.00 0.00 N ATOM 263 CD2 HIS A 19 19.232 8.938 0.066 1.00 0.00 C ATOM 264 CE1 HIS A 19 20.403 8.390 -1.705 1.00 0.00 C ATOM 265 NE2 HIS A 19 20.226 9.331 -0.795 1.00 0.00 N ATOM 0 H HIS A 19 15.738 8.893 -1.058 1.00 0.00 H new ATOM 0 HA HIS A 19 16.496 6.859 -1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.642 7.005 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 19 18.069 5.782 0.099 1.00 0.00 H new ATOM 0 HD2 HIS A 19 18.861 9.496 0.913 1.00 0.00 H new ATOM 0 HE1 HIS A 19 21.118 8.419 -2.514 1.00 0.00 H new ATOM 0 HE2 HIS A 19 20.744 10.208 -0.741 1.00 0.00 H new ATOM 274 N GLY A 20 14.119 6.208 -0.069 1.00 0.00 N ATOM 275 CA GLY A 20 13.111 5.269 0.387 1.00 0.00 C ATOM 276 C GLY A 20 11.772 5.933 0.642 1.00 0.00 C ATOM 277 O GLY A 20 11.713 7.051 1.154 1.00 0.00 O ATOM 0 H GLY A 20 13.751 7.068 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.987 4.483 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.455 4.788 1.303 1.00 0.00 H new ATOM 281 N PHE A 21 10.694 5.245 0.282 1.00 0.00 N ATOM 282 CA PHE A 21 9.349 5.776 0.472 1.00 0.00 C ATOM 283 C PHE A 21 9.030 5.930 1.957 1.00 0.00 C ATOM 284 O PHE A 21 9.875 5.677 2.814 1.00 0.00 O ATOM 285 CB PHE A 21 8.318 4.861 -0.191 1.00 0.00 C ATOM 286 CG PHE A 21 8.656 4.506 -1.610 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.650 5.475 -2.600 1.00 0.00 C ATOM 288 CD2 PHE A 21 8.980 3.204 -1.955 1.00 0.00 C ATOM 289 CE1 PHE A 21 8.960 5.151 -3.908 1.00 0.00 C ATOM 290 CE2 PHE A 21 9.291 2.874 -3.261 1.00 0.00 C ATOM 291 CZ PHE A 21 9.282 3.849 -4.238 1.00 0.00 C ATOM 0 H PHE A 21 10.725 4.318 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 21 9.304 6.760 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.229 3.945 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.344 5.349 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.400 6.495 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.990 2.437 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.950 5.915 -4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.541 1.855 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.526 3.594 -5.259 1.00 0.00 H new ATOM 301 N GLY A 22 7.802 6.347 2.252 1.00 0.00 N ATOM 302 CA GLY A 22 7.392 6.528 3.632 1.00 0.00 C ATOM 303 C GLY A 22 6.084 5.830 3.945 1.00 0.00 C ATOM 304 O GLY A 22 5.233 6.376 4.646 1.00 0.00 O ATOM 0 H GLY A 22 7.084 6.562 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.171 6.146 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.291 7.593 3.841 1.00 0.00 H new ATOM 308 N PHE A 23 5.922 4.619 3.422 1.00 0.00 N ATOM 309 CA PHE A 23 4.706 3.845 3.647 1.00 0.00 C ATOM 310 C PHE A 23 5.036 2.382 3.923 1.00 0.00 C ATOM 311 O PHE A 23 6.070 1.873 3.488 1.00 0.00 O ATOM 312 CB PHE A 23 3.778 3.950 2.435 1.00 0.00 C ATOM 313 CG PHE A 23 4.125 2.995 1.329 1.00 0.00 C ATOM 314 CD1 PHE A 23 3.810 1.650 1.434 1.00 0.00 C ATOM 315 CD2 PHE A 23 4.767 3.442 0.186 1.00 0.00 C ATOM 316 CE1 PHE A 23 4.128 0.768 0.418 1.00 0.00 C ATOM 317 CE2 PHE A 23 5.087 2.565 -0.833 1.00 0.00 C ATOM 318 CZ PHE A 23 4.768 1.226 -0.716 1.00 0.00 C ATOM 0 H PHE A 23 6.617 4.152 2.840 1.00 0.00 H new ATOM 0 HA PHE A 23 4.200 4.256 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.753 3.765 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.812 4.969 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.310 1.286 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.020 4.487 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.876 -0.278 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.586 2.926 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.019 0.539 -1.510 1.00 0.00 H new ATOM 328 N THR A 24 4.150 1.709 4.652 1.00 0.00 N ATOM 329 CA THR A 24 4.347 0.304 4.989 1.00 0.00 C ATOM 330 C THR A 24 3.145 -0.535 4.571 1.00 0.00 C ATOM 331 O THR A 24 2.073 -0.002 4.284 1.00 0.00 O ATOM 332 CB THR A 24 4.590 0.118 6.498 1.00 0.00 C ATOM 333 OG1 THR A 24 3.761 1.018 7.242 1.00 0.00 O ATOM 334 CG2 THR A 24 6.051 0.360 6.846 1.00 0.00 C ATOM 0 H THR A 24 3.289 2.114 5.020 1.00 0.00 H new ATOM 0 HA THR A 24 5.228 -0.032 4.443 1.00 0.00 H new ATOM 0 HB THR A 24 4.337 -0.909 6.760 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.920 0.893 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.197 0.223 7.917 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.677 -0.347 6.301 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.327 1.378 6.570 1.00 0.00 H new ATOM 342 N VAL A 25 3.330 -1.851 4.540 1.00 0.00 N ATOM 343 CA VAL A 25 2.259 -2.764 4.159 1.00 0.00 C ATOM 344 C VAL A 25 2.393 -4.100 4.883 1.00 0.00 C ATOM 345 O VAL A 25 3.475 -4.461 5.345 1.00 0.00 O ATOM 346 CB VAL A 25 2.250 -3.015 2.639 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.662 -1.820 1.904 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.654 -3.320 2.141 1.00 0.00 C ATOM 0 H VAL A 25 4.211 -2.308 4.774 1.00 0.00 H new ATOM 0 HA VAL A 25 1.321 -2.290 4.447 1.00 0.00 H new ATOM 0 HB VAL A 25 1.621 -3.882 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.664 -2.015 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.639 -1.653 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.261 -0.934 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.629 -3.495 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.308 -2.475 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.033 -4.209 2.644 1.00 0.00 H new ATOM 358 N SER A 26 1.286 -4.829 4.976 1.00 0.00 N ATOM 359 CA SER A 26 1.278 -6.124 5.647 1.00 0.00 C ATOM 360 C SER A 26 1.531 -7.252 4.652 1.00 0.00 C ATOM 361 O SER A 26 1.682 -8.411 5.036 1.00 0.00 O ATOM 362 CB SER A 26 -0.059 -6.346 6.358 1.00 0.00 C ATOM 363 OG SER A 26 0.080 -7.263 7.429 1.00 0.00 O ATOM 0 H SER A 26 0.383 -4.545 4.595 1.00 0.00 H new ATOM 0 HA SER A 26 2.079 -6.128 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.436 -5.396 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.795 -6.721 5.647 1.00 0.00 H new ATOM 0 HG SER A 26 0.193 -8.169 7.072 1.00 0.00 H new ATOM 369 N GLY A 27 1.575 -6.904 3.370 1.00 0.00 N ATOM 370 CA GLY A 27 1.810 -7.897 2.338 1.00 0.00 C ATOM 371 C GLY A 27 0.941 -9.127 2.510 1.00 0.00 C ATOM 372 O GLY A 27 1.233 -10.185 1.952 1.00 0.00 O ATOM 0 H GLY A 27 1.452 -5.951 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.618 -7.454 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.859 -8.192 2.354 1.00 0.00 H new ATOM 376 N ASP A 28 -0.130 -8.990 3.284 1.00 0.00 N ATOM 377 CA ASP A 28 -1.045 -10.099 3.528 1.00 0.00 C ATOM 378 C ASP A 28 -1.977 -10.306 2.339 1.00 0.00 C ATOM 379 O ASP A 28 -1.837 -9.651 1.306 1.00 0.00 O ATOM 380 CB ASP A 28 -1.863 -9.844 4.795 1.00 0.00 C ATOM 381 CG ASP A 28 -1.182 -10.376 6.041 1.00 0.00 C ATOM 382 OD1 ASP A 28 -1.188 -11.609 6.240 1.00 0.00 O ATOM 383 OD2 ASP A 28 -0.642 -9.560 6.816 1.00 0.00 O ATOM 0 H ASP A 28 -0.386 -8.121 3.753 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.452 -11.004 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.031 -8.773 4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.842 -10.312 4.692 1.00 0.00 H new ATOM 388 N ARG A 29 -2.928 -11.222 2.491 1.00 0.00 N ATOM 389 CA ARG A 29 -3.882 -11.517 1.429 1.00 0.00 C ATOM 390 C ARG A 29 -4.204 -10.262 0.623 1.00 0.00 C ATOM 391 O ARG A 29 -3.904 -10.185 -0.569 1.00 0.00 O ATOM 392 CB ARG A 29 -5.168 -12.102 2.017 1.00 0.00 C ATOM 393 CG ARG A 29 -6.116 -12.662 0.970 1.00 0.00 C ATOM 394 CD ARG A 29 -7.431 -13.107 1.591 1.00 0.00 C ATOM 395 NE ARG A 29 -8.119 -12.009 2.264 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.868 -11.642 3.516 1.00 0.00 C ATOM 397 NH1 ARG A 29 -6.951 -12.282 4.227 1.00 0.00 N ATOM 398 NH2 ARG A 29 -8.536 -10.631 4.058 1.00 0.00 N ATOM 0 H ARG A 29 -3.058 -11.773 3.340 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.429 -12.250 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.909 -12.893 2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.683 -11.327 2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.309 -11.905 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.646 -13.507 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.077 -13.518 0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.241 -13.908 2.306 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.831 -11.496 1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.435 -13.059 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.761 -11.998 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.242 -10.136 3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.343 -10.349 5.019 1.00 0.00 H new ATOM 412 N ILE A 30 -4.815 -9.283 1.281 1.00 0.00 N ATOM 413 CA ILE A 30 -5.177 -8.033 0.626 1.00 0.00 C ATOM 414 C ILE A 30 -4.192 -6.923 0.979 1.00 0.00 C ATOM 415 O ILE A 30 -4.492 -6.048 1.792 1.00 0.00 O ATOM 416 CB ILE A 30 -6.599 -7.585 1.012 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.976 -6.306 0.262 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.696 -7.372 2.516 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.664 -6.562 -1.061 1.00 0.00 C ATOM 0 H ILE A 30 -5.070 -9.332 2.267 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.143 -8.218 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.301 -8.369 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.631 -5.704 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.075 -5.719 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.707 -7.056 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.465 -8.304 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.986 -6.603 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.902 -5.611 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.003 -7.137 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.583 -7.123 -0.891 1.00 0.00 H new ATOM 431 N VAL A 31 -3.017 -6.963 0.360 1.00 0.00 N ATOM 432 CA VAL A 31 -1.988 -5.959 0.606 1.00 0.00 C ATOM 433 C VAL A 31 -2.609 -4.599 0.905 1.00 0.00 C ATOM 434 O VAL A 31 -3.099 -3.916 0.004 1.00 0.00 O ATOM 435 CB VAL A 31 -1.037 -5.823 -0.597 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.110 -4.880 -0.268 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.512 -7.188 -1.017 1.00 0.00 C ATOM 0 H VAL A 31 -2.753 -7.680 -0.316 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.419 -6.295 1.473 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.594 -5.400 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.771 -4.797 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.288 -3.896 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.670 -5.270 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.159 -7.074 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.030 -7.641 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.348 -7.829 -1.297 1.00 0.00 H new ATOM 447 N LEU A 32 -2.585 -4.210 2.175 1.00 0.00 N ATOM 448 CA LEU A 32 -3.145 -2.930 2.594 1.00 0.00 C ATOM 449 C LEU A 32 -2.075 -2.052 3.236 1.00 0.00 C ATOM 450 O LEU A 32 -1.131 -2.552 3.848 1.00 0.00 O ATOM 451 CB LEU A 32 -4.296 -3.151 3.577 1.00 0.00 C ATOM 452 CG LEU A 32 -5.686 -3.303 2.958 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.607 -4.068 3.897 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.274 -1.939 2.626 1.00 0.00 C ATOM 0 H LEU A 32 -2.184 -4.763 2.933 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.525 -2.420 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.081 -4.045 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.320 -2.312 4.273 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.591 -3.871 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.592 -4.167 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.193 -5.059 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.697 -3.527 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.263 -2.066 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.355 -1.346 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.625 -1.426 1.916 1.00 0.00 H new ATOM 466 N VAL A 33 -2.230 -0.739 3.093 1.00 0.00 N ATOM 467 CA VAL A 33 -1.280 0.209 3.662 1.00 0.00 C ATOM 468 C VAL A 33 -1.365 0.227 5.184 1.00 0.00 C ATOM 469 O VAL A 33 -2.319 0.757 5.755 1.00 0.00 O ATOM 470 CB VAL A 33 -1.521 1.634 3.128 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.764 2.653 3.965 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.119 1.729 1.664 1.00 0.00 C ATOM 0 H VAL A 33 -3.004 -0.308 2.588 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.286 -0.121 3.361 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.585 1.857 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.946 3.654 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.106 2.601 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.303 2.436 3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.296 2.742 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.061 1.486 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.711 1.026 1.078 1.00 0.00 H new ATOM 482 N GLN A 34 -0.363 -0.354 5.834 1.00 0.00 N ATOM 483 CA GLN A 34 -0.325 -0.404 7.291 1.00 0.00 C ATOM 484 C GLN A 34 -0.250 1.000 7.882 1.00 0.00 C ATOM 485 O GLN A 34 -1.116 1.404 8.658 1.00 0.00 O ATOM 486 CB GLN A 34 0.871 -1.234 7.763 1.00 0.00 C ATOM 487 CG GLN A 34 0.722 -1.764 9.180 1.00 0.00 C ATOM 488 CD GLN A 34 1.750 -2.825 9.517 1.00 0.00 C ATOM 489 OE1 GLN A 34 2.938 -2.532 9.659 1.00 0.00 O ATOM 490 NE2 GLN A 34 1.299 -4.067 9.646 1.00 0.00 N ATOM 0 H GLN A 34 0.433 -0.797 5.376 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.245 -0.875 7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.011 -2.074 7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.772 -0.623 7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.814 -0.937 9.885 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.278 -2.180 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.306 -4.265 9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.945 -4.823 9.871 1.00 0.00 H new ATOM 499 N SER A 35 0.791 1.738 7.512 1.00 0.00 N ATOM 500 CA SER A 35 0.981 3.095 8.009 1.00 0.00 C ATOM 501 C SER A 35 1.533 4.003 6.913 1.00 0.00 C ATOM 502 O SER A 35 1.962 3.533 5.859 1.00 0.00 O ATOM 503 CB SER A 35 1.929 3.093 9.210 1.00 0.00 C ATOM 504 OG SER A 35 1.638 4.164 10.091 1.00 0.00 O ATOM 0 H SER A 35 1.516 1.419 6.869 1.00 0.00 H new ATOM 0 HA SER A 35 0.010 3.480 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.844 2.146 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.960 3.172 8.864 1.00 0.00 H new ATOM 0 HG SER A 35 2.256 4.140 10.851 1.00 0.00 H new ATOM 510 N VAL A 36 1.518 5.307 7.171 1.00 0.00 N ATOM 511 CA VAL A 36 2.017 6.282 6.209 1.00 0.00 C ATOM 512 C VAL A 36 2.682 7.459 6.913 1.00 0.00 C ATOM 513 O VAL A 36 2.014 8.270 7.554 1.00 0.00 O ATOM 514 CB VAL A 36 0.885 6.811 5.307 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.449 7.697 4.207 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.090 5.655 4.718 1.00 0.00 C ATOM 0 H VAL A 36 1.166 5.712 8.038 1.00 0.00 H new ATOM 0 HA VAL A 36 2.754 5.768 5.592 1.00 0.00 H new ATOM 0 HB VAL A 36 0.210 7.414 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.635 8.061 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.970 8.544 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.146 7.122 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.705 6.046 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.751 5.024 4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.346 5.065 5.524 1.00 0.00 H new ATOM 526 N ARG A 37 4.003 7.546 6.790 1.00 0.00 N ATOM 527 CA ARG A 37 4.759 8.624 7.416 1.00 0.00 C ATOM 528 C ARG A 37 4.066 9.967 7.207 1.00 0.00 C ATOM 529 O ARG A 37 3.488 10.238 6.154 1.00 0.00 O ATOM 530 CB ARG A 37 6.178 8.676 6.848 1.00 0.00 C ATOM 531 CG ARG A 37 7.174 7.823 7.617 1.00 0.00 C ATOM 532 CD ARG A 37 7.067 6.356 7.231 1.00 0.00 C ATOM 533 NE ARG A 37 8.221 5.585 7.685 1.00 0.00 N ATOM 534 CZ ARG A 37 8.464 4.335 7.308 1.00 0.00 C ATOM 535 NH1 ARG A 37 7.639 3.719 6.472 1.00 0.00 N ATOM 536 NH2 ARG A 37 9.535 3.699 7.765 1.00 0.00 N ATOM 0 H ARG A 37 4.571 6.883 6.263 1.00 0.00 H new ATOM 0 HA ARG A 37 4.810 8.424 8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.157 8.347 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.522 9.710 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.186 8.179 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.998 7.932 8.687 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.158 5.934 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.978 6.272 6.148 1.00 0.00 H new ATOM 0 HE ARG A 37 8.876 6.031 8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.816 4.205 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.828 2.759 6.184 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.173 4.170 8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.721 2.739 7.475 1.00 0.00 H new ATOM 550 N PRO A 38 4.124 10.829 8.233 1.00 0.00 N ATOM 551 CA PRO A 38 3.508 12.158 8.186 1.00 0.00 C ATOM 552 C PRO A 38 4.230 13.098 7.227 1.00 0.00 C ATOM 553 O PRO A 38 3.783 14.219 6.988 1.00 0.00 O ATOM 554 CB PRO A 38 3.637 12.660 9.626 1.00 0.00 C ATOM 555 CG PRO A 38 4.806 11.922 10.181 1.00 0.00 C ATOM 556 CD PRO A 38 4.797 10.572 9.518 1.00 0.00 C ATOM 0 HA PRO A 38 2.480 12.118 7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.798 13.738 9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.732 12.457 10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.736 12.452 9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.728 11.825 11.264 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.807 10.188 9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.258 9.835 10.114 1.00 0.00 H new ATOM 564 N GLY A 39 5.350 12.634 6.681 1.00 0.00 N ATOM 565 CA GLY A 39 6.116 13.447 5.754 1.00 0.00 C ATOM 566 C GLY A 39 6.905 12.611 4.766 1.00 0.00 C ATOM 567 O GLY A 39 7.941 13.045 4.264 1.00 0.00 O ATOM 0 H GLY A 39 5.741 11.710 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.440 14.106 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.800 14.084 6.314 1.00 0.00 H new ATOM 571 N GLY A 40 6.415 11.407 4.487 1.00 0.00 N ATOM 572 CA GLY A 40 7.096 10.527 3.555 1.00 0.00 C ATOM 573 C GLY A 40 6.826 10.894 2.109 1.00 0.00 C ATOM 574 O GLY A 40 6.539 12.049 1.798 1.00 0.00 O ATOM 0 H GLY A 40 5.559 11.025 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.169 10.565 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.778 9.500 3.731 1.00 0.00 H new ATOM 578 N ALA A 41 6.921 9.908 1.223 1.00 0.00 N ATOM 579 CA ALA A 41 6.685 10.134 -0.198 1.00 0.00 C ATOM 580 C ALA A 41 5.248 9.791 -0.577 1.00 0.00 C ATOM 581 O ALA A 41 4.670 10.403 -1.474 1.00 0.00 O ATOM 582 CB ALA A 41 7.662 9.317 -1.031 1.00 0.00 C ATOM 0 H ALA A 41 7.159 8.946 1.464 1.00 0.00 H new ATOM 0 HA ALA A 41 6.845 11.192 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.475 9.495 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.683 9.612 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.529 8.257 -0.812 1.00 0.00 H new ATOM 588 N ALA A 42 4.678 8.808 0.112 1.00 0.00 N ATOM 589 CA ALA A 42 3.308 8.385 -0.152 1.00 0.00 C ATOM 590 C ALA A 42 2.308 9.417 0.355 1.00 0.00 C ATOM 591 O ALA A 42 1.439 9.871 -0.389 1.00 0.00 O ATOM 592 CB ALA A 42 3.042 7.030 0.488 1.00 0.00 C ATOM 0 H ALA A 42 5.143 8.290 0.857 1.00 0.00 H new ATOM 0 HA ALA A 42 3.182 8.296 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.015 6.726 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.729 6.291 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.191 7.101 1.565 1.00 0.00 H new ATOM 598 N MET A 43 2.435 9.784 1.626 1.00 0.00 N ATOM 599 CA MET A 43 1.541 10.764 2.232 1.00 0.00 C ATOM 600 C MET A 43 1.359 11.972 1.318 1.00 0.00 C ATOM 601 O MET A 43 0.237 12.421 1.081 1.00 0.00 O ATOM 602 CB MET A 43 2.087 11.214 3.588 1.00 0.00 C ATOM 603 CG MET A 43 1.130 12.105 4.363 1.00 0.00 C ATOM 604 SD MET A 43 -0.357 11.233 4.891 1.00 0.00 S ATOM 605 CE MET A 43 0.213 10.484 6.415 1.00 0.00 C ATOM 0 H MET A 43 3.148 9.418 2.256 1.00 0.00 H new ATOM 0 HA MET A 43 0.570 10.291 2.378 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.317 10.334 4.188 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.024 11.749 3.434 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.641 12.506 5.238 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.847 12.955 3.742 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.567 9.837 6.817 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.108 9.894 6.218 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.446 11.265 7.139 1.00 0.00 H new ATOM 615 N LYS A 44 2.468 12.494 0.806 1.00 0.00 N ATOM 616 CA LYS A 44 2.432 13.649 -0.083 1.00 0.00 C ATOM 617 C LYS A 44 1.576 13.362 -1.312 1.00 0.00 C ATOM 618 O LYS A 44 0.729 14.170 -1.693 1.00 0.00 O ATOM 619 CB LYS A 44 3.849 14.032 -0.513 1.00 0.00 C ATOM 620 CG LYS A 44 4.641 14.748 0.567 1.00 0.00 C ATOM 621 CD LYS A 44 6.137 14.558 0.381 1.00 0.00 C ATOM 622 CE LYS A 44 6.695 15.516 -0.660 1.00 0.00 C ATOM 623 NZ LYS A 44 8.167 15.692 -0.519 1.00 0.00 N ATOM 0 H LYS A 44 3.404 12.135 0.992 1.00 0.00 H new ATOM 0 HA LYS A 44 1.987 14.482 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.386 13.131 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.792 14.672 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.404 15.812 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.345 14.372 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.646 14.716 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.339 13.531 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.468 15.140 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.203 16.484 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.437 16.639 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.435 15.589 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.659 14.971 -1.085 1.00 0.00 H new ATOM 637 N ALA A 45 1.801 12.206 -1.928 1.00 0.00 N ATOM 638 CA ALA A 45 1.048 11.812 -3.112 1.00 0.00 C ATOM 639 C ALA A 45 -0.445 11.729 -2.811 1.00 0.00 C ATOM 640 O ALA A 45 -1.277 11.844 -3.710 1.00 0.00 O ATOM 641 CB ALA A 45 1.556 10.479 -3.641 1.00 0.00 C ATOM 0 H ALA A 45 2.499 11.526 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 45 1.196 12.575 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.985 10.197 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.610 10.570 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.438 9.714 -2.873 1.00 0.00 H new ATOM 647 N GLY A 46 -0.777 11.528 -1.539 1.00 0.00 N ATOM 648 CA GLY A 46 -2.170 11.432 -1.142 1.00 0.00 C ATOM 649 C GLY A 46 -2.538 10.047 -0.650 1.00 0.00 C ATOM 650 O GLY A 46 -3.638 9.559 -0.912 1.00 0.00 O ATOM 0 H GLY A 46 -0.106 11.430 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.371 12.159 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.805 11.694 -1.988 1.00 0.00 H new ATOM 654 N VAL A 47 -1.616 9.410 0.064 1.00 0.00 N ATOM 655 CA VAL A 47 -1.849 8.071 0.594 1.00 0.00 C ATOM 656 C VAL A 47 -2.110 8.113 2.096 1.00 0.00 C ATOM 657 O VAL A 47 -1.624 9.000 2.798 1.00 0.00 O ATOM 658 CB VAL A 47 -0.653 7.142 0.317 1.00 0.00 C ATOM 659 CG1 VAL A 47 -1.040 5.689 0.551 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.139 7.343 -1.101 1.00 0.00 C ATOM 0 H VAL A 47 -0.700 9.799 0.289 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.729 7.678 0.086 1.00 0.00 H new ATOM 0 HB VAL A 47 0.150 7.396 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.182 5.047 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.356 5.559 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.859 5.419 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.706 6.678 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.934 7.117 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.180 8.377 -1.229 1.00 0.00 H new ATOM 670 N LYS A 48 -2.880 7.146 2.584 1.00 0.00 N ATOM 671 CA LYS A 48 -3.205 7.069 4.003 1.00 0.00 C ATOM 672 C LYS A 48 -3.500 5.631 4.416 1.00 0.00 C ATOM 673 O LYS A 48 -3.685 4.758 3.569 1.00 0.00 O ATOM 674 CB LYS A 48 -4.408 7.960 4.321 1.00 0.00 C ATOM 675 CG LYS A 48 -5.613 7.693 3.436 1.00 0.00 C ATOM 676 CD LYS A 48 -6.518 6.628 4.033 1.00 0.00 C ATOM 677 CE LYS A 48 -7.563 7.238 4.955 1.00 0.00 C ATOM 678 NZ LYS A 48 -7.955 6.303 6.045 1.00 0.00 N ATOM 0 H LYS A 48 -3.291 6.404 2.017 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.342 7.421 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.693 7.813 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.114 9.004 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.177 8.616 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.277 7.375 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.014 6.079 3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.917 5.908 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.171 8.158 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.445 7.509 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.229 6.847 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.759 5.722 5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.152 5.685 6.278 1.00 0.00 H new ATOM 692 N GLU A 49 -3.545 5.392 5.723 1.00 0.00 N ATOM 693 CA GLU A 49 -3.819 4.059 6.247 1.00 0.00 C ATOM 694 C GLU A 49 -5.175 3.553 5.763 1.00 0.00 C ATOM 695 O GLU A 49 -6.198 4.212 5.948 1.00 0.00 O ATOM 696 CB GLU A 49 -3.783 4.071 7.777 1.00 0.00 C ATOM 697 CG GLU A 49 -2.467 4.567 8.351 1.00 0.00 C ATOM 698 CD GLU A 49 -2.456 6.067 8.575 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.981 6.516 9.615 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.923 6.792 7.709 1.00 0.00 O ATOM 0 H GLU A 49 -3.395 6.104 6.438 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.046 3.385 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.591 4.702 8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.973 3.062 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.274 4.061 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.656 4.299 7.674 1.00 0.00 H new ATOM 707 N GLY A 50 -5.174 2.377 5.143 1.00 0.00 N ATOM 708 CA GLY A 50 -6.409 1.802 4.641 1.00 0.00 C ATOM 709 C GLY A 50 -6.354 1.519 3.153 1.00 0.00 C ATOM 710 O GLY A 50 -6.967 0.566 2.672 1.00 0.00 O ATOM 0 H GLY A 50 -4.341 1.812 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.619 0.876 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.234 2.484 4.848 1.00 0.00 H new ATOM 714 N ASP A 51 -5.619 2.349 2.421 1.00 0.00 N ATOM 715 CA ASP A 51 -5.487 2.184 0.978 1.00 0.00 C ATOM 716 C ASP A 51 -5.316 0.713 0.613 1.00 0.00 C ATOM 717 O ASP A 51 -4.455 0.023 1.161 1.00 0.00 O ATOM 718 CB ASP A 51 -4.298 2.993 0.458 1.00 0.00 C ATOM 719 CG ASP A 51 -4.671 4.425 0.128 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.179 4.664 -0.988 1.00 0.00 O ATOM 721 OD2 ASP A 51 -4.457 5.306 0.987 1.00 0.00 O ATOM 0 H ASP A 51 -5.105 3.143 2.803 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.400 2.552 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.506 2.990 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.896 2.511 -0.433 1.00 0.00 H new ATOM 726 N ARG A 52 -6.141 0.238 -0.314 1.00 0.00 N ATOM 727 CA ARG A 52 -6.083 -1.152 -0.750 1.00 0.00 C ATOM 728 C ARG A 52 -5.357 -1.272 -2.087 1.00 0.00 C ATOM 729 O ARG A 52 -5.871 -0.849 -3.123 1.00 0.00 O ATOM 730 CB ARG A 52 -7.494 -1.731 -0.870 1.00 0.00 C ATOM 731 CG ARG A 52 -7.565 -3.223 -0.592 1.00 0.00 C ATOM 732 CD ARG A 52 -9.004 -3.697 -0.458 1.00 0.00 C ATOM 733 NE ARG A 52 -9.768 -3.481 -1.684 1.00 0.00 N ATOM 734 CZ ARG A 52 -11.025 -3.879 -1.846 1.00 0.00 C ATOM 735 NH1 ARG A 52 -11.656 -4.510 -0.866 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.653 -3.646 -2.992 1.00 0.00 N ATOM 0 H ARG A 52 -6.858 0.796 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.528 -1.718 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.152 -1.209 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.873 -1.539 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.075 -3.768 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.019 -3.450 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.014 -4.758 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.484 -3.169 0.366 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.311 -2.998 -2.458 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.176 -4.691 0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.621 -4.814 -0.994 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.170 -3.161 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.618 -3.952 -3.116 1.00 0.00 H new ATOM 750 N ILE A 53 -4.162 -1.851 -2.055 1.00 0.00 N ATOM 751 CA ILE A 53 -3.366 -2.027 -3.264 1.00 0.00 C ATOM 752 C ILE A 53 -3.781 -3.287 -4.016 1.00 0.00 C ATOM 753 O ILE A 53 -3.721 -4.392 -3.476 1.00 0.00 O ATOM 754 CB ILE A 53 -1.862 -2.106 -2.942 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.322 -0.720 -2.581 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.098 -2.687 -4.122 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.030 -0.761 -1.796 1.00 0.00 C ATOM 0 H ILE A 53 -3.723 -2.206 -1.205 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.549 -1.155 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.723 -2.764 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.163 -0.151 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.074 -0.186 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.037 -2.737 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.468 -3.689 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.241 -2.052 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.294 0.256 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.188 -1.302 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.737 -1.266 -2.383 1.00 0.00 H new ATOM 769 N ILE A 54 -4.199 -3.113 -5.265 1.00 0.00 N ATOM 770 CA ILE A 54 -4.620 -4.237 -6.092 1.00 0.00 C ATOM 771 C ILE A 54 -3.598 -4.528 -7.186 1.00 0.00 C ATOM 772 O ILE A 54 -3.178 -5.671 -7.370 1.00 0.00 O ATOM 773 CB ILE A 54 -5.991 -3.974 -6.744 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.895 -3.198 -5.784 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.644 -5.286 -7.151 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.322 -3.070 -6.269 1.00 0.00 C ATOM 0 H ILE A 54 -4.255 -2.205 -5.726 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.700 -5.101 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.842 -3.372 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.893 -3.695 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.480 -2.201 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.612 -5.084 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.005 -5.804 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.784 -5.911 -6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.905 -2.509 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.336 -2.546 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.755 -4.063 -6.393 1.00 0.00 H new ATOM 788 N LYS A 55 -3.200 -3.487 -7.909 1.00 0.00 N ATOM 789 CA LYS A 55 -2.224 -3.628 -8.983 1.00 0.00 C ATOM 790 C LYS A 55 -0.963 -2.825 -8.682 1.00 0.00 C ATOM 791 O LYS A 55 -0.990 -1.882 -7.890 1.00 0.00 O ATOM 792 CB LYS A 55 -2.828 -3.171 -10.312 1.00 0.00 C ATOM 793 CG LYS A 55 -3.528 -4.281 -11.076 1.00 0.00 C ATOM 794 CD LYS A 55 -4.094 -3.780 -12.394 1.00 0.00 C ATOM 795 CE LYS A 55 -5.420 -3.061 -12.194 1.00 0.00 C ATOM 796 NZ LYS A 55 -6.162 -2.899 -13.475 1.00 0.00 N ATOM 0 H LYS A 55 -3.539 -2.535 -7.770 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.953 -4.681 -9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.540 -2.368 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.038 -2.754 -10.936 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.825 -5.092 -11.266 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.333 -4.692 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.380 -3.104 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.233 -4.620 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.033 -3.620 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.239 -2.081 -11.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.059 -2.405 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.588 -2.344 -14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.358 -3.835 -13.884 1.00 0.00 H new ATOM 810 N VAL A 56 0.141 -3.202 -9.319 1.00 0.00 N ATOM 811 CA VAL A 56 1.411 -2.515 -9.121 1.00 0.00 C ATOM 812 C VAL A 56 2.258 -2.550 -10.388 1.00 0.00 C ATOM 813 O VAL A 56 2.812 -3.588 -10.748 1.00 0.00 O ATOM 814 CB VAL A 56 2.213 -3.139 -7.963 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.567 -2.460 -7.824 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.427 -3.051 -6.664 1.00 0.00 C ATOM 0 H VAL A 56 0.181 -3.980 -9.977 1.00 0.00 H new ATOM 0 HA VAL A 56 1.175 -1.480 -8.873 1.00 0.00 H new ATOM 0 HB VAL A 56 2.383 -4.192 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.119 -2.914 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.131 -2.580 -8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.423 -1.399 -7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.008 -3.496 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.224 -2.006 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.485 -3.588 -6.772 1.00 0.00 H new ATOM 826 N ASN A 57 2.354 -1.408 -11.061 1.00 0.00 N ATOM 827 CA ASN A 57 3.134 -1.308 -12.289 1.00 0.00 C ATOM 828 C ASN A 57 2.559 -2.213 -13.374 1.00 0.00 C ATOM 829 O ASN A 57 3.298 -2.875 -14.102 1.00 0.00 O ATOM 830 CB ASN A 57 4.595 -1.678 -12.022 1.00 0.00 C ATOM 831 CG ASN A 57 5.415 -0.492 -11.551 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.589 0.485 -12.279 1.00 0.00 O ATOM 833 ND2 ASN A 57 5.923 -0.574 -10.327 1.00 0.00 N ATOM 0 H ASN A 57 1.901 -0.539 -10.777 1.00 0.00 H new ATOM 0 HA ASN A 57 3.085 -0.276 -12.638 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.636 -2.466 -11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.037 -2.083 -12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.483 0.193 -9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.753 -1.404 -9.759 1.00 0.00 H new ATOM 840 N GLY A 58 1.234 -2.237 -13.477 1.00 0.00 N ATOM 841 CA GLY A 58 0.581 -3.063 -14.476 1.00 0.00 C ATOM 842 C GLY A 58 0.552 -4.528 -14.087 1.00 0.00 C ATOM 843 O GLY A 58 -0.105 -5.339 -14.740 1.00 0.00 O ATOM 0 H GLY A 58 0.600 -1.699 -12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.439 -2.709 -14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.099 -2.953 -15.429 1.00 0.00 H new ATOM 847 N THR A 59 1.269 -4.870 -13.021 1.00 0.00 N ATOM 848 CA THR A 59 1.325 -6.248 -12.547 1.00 0.00 C ATOM 849 C THR A 59 0.419 -6.451 -11.338 1.00 0.00 C ATOM 850 O THR A 59 0.575 -5.784 -10.316 1.00 0.00 O ATOM 851 CB THR A 59 2.763 -6.654 -12.172 1.00 0.00 C ATOM 852 OG1 THR A 59 3.605 -6.601 -13.329 1.00 0.00 O ATOM 853 CG2 THR A 59 2.792 -8.056 -11.581 1.00 0.00 C ATOM 0 H THR A 59 1.819 -4.212 -12.469 1.00 0.00 H new ATOM 0 HA THR A 59 0.979 -6.879 -13.366 1.00 0.00 H new ATOM 0 HB THR A 59 3.132 -5.953 -11.423 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.518 -6.859 -13.082 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.817 -8.321 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.174 -8.086 -10.684 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.406 -8.767 -12.311 1.00 0.00 H new ATOM 861 N MET A 60 -0.527 -7.376 -11.463 1.00 0.00 N ATOM 862 CA MET A 60 -1.457 -7.668 -10.378 1.00 0.00 C ATOM 863 C MET A 60 -0.750 -8.392 -9.236 1.00 0.00 C ATOM 864 O MET A 60 -0.039 -9.372 -9.455 1.00 0.00 O ATOM 865 CB MET A 60 -2.622 -8.516 -10.891 1.00 0.00 C ATOM 866 CG MET A 60 -3.914 -8.303 -10.119 1.00 0.00 C ATOM 867 SD MET A 60 -5.376 -8.751 -11.075 1.00 0.00 S ATOM 868 CE MET A 60 -5.711 -7.209 -11.923 1.00 0.00 C ATOM 0 H MET A 60 -0.670 -7.936 -12.304 1.00 0.00 H new ATOM 0 HA MET A 60 -1.844 -6.722 -10.000 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.794 -8.285 -11.942 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.346 -9.569 -10.837 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.888 -8.895 -9.204 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.986 -7.257 -9.821 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.590 -7.326 -12.556 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.893 -6.423 -11.190 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.853 -6.939 -12.539 1.00 0.00 H new ATOM 878 N VAL A 61 -0.950 -7.902 -8.017 1.00 0.00 N ATOM 879 CA VAL A 61 -0.333 -8.503 -6.840 1.00 0.00 C ATOM 880 C VAL A 61 -1.379 -8.848 -5.787 1.00 0.00 C ATOM 881 O VAL A 61 -1.131 -8.728 -4.586 1.00 0.00 O ATOM 882 CB VAL A 61 0.718 -7.565 -6.217 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.887 -7.364 -7.169 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.087 -6.231 -5.845 1.00 0.00 C ATOM 0 H VAL A 61 -1.535 -7.090 -7.818 1.00 0.00 H new ATOM 0 HA VAL A 61 0.159 -9.417 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 61 1.098 -8.028 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.619 -6.699 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.354 -8.326 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.527 -6.923 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.844 -5.580 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.322 -5.760 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.713 -6.396 -5.123 1.00 0.00 H new ATOM 894 N THR A 62 -2.551 -9.279 -6.243 1.00 0.00 N ATOM 895 CA THR A 62 -3.636 -9.642 -5.340 1.00 0.00 C ATOM 896 C THR A 62 -3.353 -10.969 -4.646 1.00 0.00 C ATOM 897 O THR A 62 -2.697 -11.846 -5.206 1.00 0.00 O ATOM 898 CB THR A 62 -4.979 -9.744 -6.088 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.918 -10.789 -7.065 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.320 -8.426 -6.768 1.00 0.00 C ATOM 0 H THR A 62 -2.773 -9.385 -7.233 1.00 0.00 H new ATOM 0 HA THR A 62 -3.703 -8.851 -4.593 1.00 0.00 H new ATOM 0 HB THR A 62 -5.758 -9.973 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.162 -11.642 -6.648 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.272 -8.522 -7.290 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.395 -7.638 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.538 -8.173 -7.484 1.00 0.00 H new ATOM 908 N ASN A 63 -3.852 -11.110 -3.422 1.00 0.00 N ATOM 909 CA ASN A 63 -3.653 -12.332 -2.651 1.00 0.00 C ATOM 910 C ASN A 63 -2.201 -12.794 -2.731 1.00 0.00 C ATOM 911 O ASN A 63 -1.926 -13.983 -2.895 1.00 0.00 O ATOM 912 CB ASN A 63 -4.581 -13.437 -3.158 1.00 0.00 C ATOM 913 CG ASN A 63 -4.836 -13.339 -4.650 1.00 0.00 C ATOM 914 OD1 ASN A 63 -5.640 -12.522 -5.101 1.00 0.00 O ATOM 915 ND2 ASN A 63 -4.151 -14.173 -5.423 1.00 0.00 N ATOM 0 H ASN A 63 -4.397 -10.393 -2.943 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.891 -12.118 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.143 -14.409 -2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.531 -13.383 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.280 -14.153 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.495 -14.833 -5.005 1.00 0.00 H new ATOM 922 N SER A 64 -1.277 -11.847 -2.612 1.00 0.00 N ATOM 923 CA SER A 64 0.147 -12.156 -2.674 1.00 0.00 C ATOM 924 C SER A 64 0.822 -11.881 -1.334 1.00 0.00 C ATOM 925 O SER A 64 0.161 -11.542 -0.352 1.00 0.00 O ATOM 926 CB SER A 64 0.821 -11.336 -3.776 1.00 0.00 C ATOM 927 OG SER A 64 0.200 -11.558 -5.030 1.00 0.00 O ATOM 0 H SER A 64 -1.488 -10.859 -2.472 1.00 0.00 H new ATOM 0 HA SER A 64 0.254 -13.216 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.773 -10.276 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.876 -11.602 -3.837 1.00 0.00 H new ATOM 0 HG SER A 64 -0.774 -11.552 -4.918 1.00 0.00 H new ATOM 933 N SER A 65 2.142 -12.029 -1.302 1.00 0.00 N ATOM 934 CA SER A 65 2.908 -11.801 -0.081 1.00 0.00 C ATOM 935 C SER A 65 3.602 -10.443 -0.122 1.00 0.00 C ATOM 936 O SER A 65 3.421 -9.668 -1.062 1.00 0.00 O ATOM 937 CB SER A 65 3.943 -12.910 0.112 1.00 0.00 C ATOM 938 OG SER A 65 3.367 -14.040 0.744 1.00 0.00 O ATOM 0 H SER A 65 2.704 -12.306 -2.107 1.00 0.00 H new ATOM 0 HA SER A 65 2.215 -11.811 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.354 -13.200 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.773 -12.537 0.712 1.00 0.00 H new ATOM 0 HG SER A 65 4.048 -14.736 0.855 1.00 0.00 H new ATOM 944 N HIS A 66 4.398 -10.161 0.904 1.00 0.00 N ATOM 945 CA HIS A 66 5.122 -8.897 0.986 1.00 0.00 C ATOM 946 C HIS A 66 6.382 -8.936 0.128 1.00 0.00 C ATOM 947 O HIS A 66 6.754 -7.938 -0.492 1.00 0.00 O ATOM 948 CB HIS A 66 5.489 -8.589 2.438 1.00 0.00 C ATOM 949 CG HIS A 66 5.923 -7.173 2.659 1.00 0.00 C ATOM 950 ND1 HIS A 66 6.964 -6.826 3.494 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.451 -6.012 2.146 1.00 0.00 C ATOM 952 CE1 HIS A 66 7.113 -5.514 3.486 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.208 -4.996 2.676 1.00 0.00 N ATOM 0 H HIS A 66 4.558 -10.790 1.690 1.00 0.00 H new ATOM 0 HA HIS A 66 4.471 -8.109 0.608 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.629 -8.800 3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.290 -9.259 2.752 1.00 0.00 H new ATOM 0 HD1 HIS A 66 7.530 -7.481 4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.632 -5.905 1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.850 -4.959 4.047 1.00 0.00 H new ATOM 962 N LEU A 67 7.035 -10.092 0.096 1.00 0.00 N ATOM 963 CA LEU A 67 8.255 -10.260 -0.687 1.00 0.00 C ATOM 964 C LEU A 67 8.039 -9.823 -2.132 1.00 0.00 C ATOM 965 O LEU A 67 8.810 -9.029 -2.671 1.00 0.00 O ATOM 966 CB LEU A 67 8.713 -11.719 -0.646 1.00 0.00 C ATOM 967 CG LEU A 67 9.568 -12.122 0.556 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.911 -11.409 0.518 1.00 0.00 C ATOM 969 CD2 LEU A 67 8.837 -11.818 1.855 1.00 0.00 C ATOM 0 H LEU A 67 6.741 -10.927 0.603 1.00 0.00 H new ATOM 0 HA LEU A 67 9.029 -9.630 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.829 -12.357 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.278 -11.927 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 67 9.749 -13.196 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.506 -11.708 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.439 -11.676 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.751 -10.331 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.460 -12.111 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.626 -10.750 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.900 -12.375 1.884 1.00 0.00 H new ATOM 981 N GLU A 68 6.985 -10.344 -2.752 1.00 0.00 N ATOM 982 CA GLU A 68 6.668 -10.006 -4.134 1.00 0.00 C ATOM 983 C GLU A 68 6.519 -8.496 -4.304 1.00 0.00 C ATOM 984 O GLU A 68 7.336 -7.850 -4.961 1.00 0.00 O ATOM 985 CB GLU A 68 5.383 -10.709 -4.573 1.00 0.00 C ATOM 986 CG GLU A 68 5.598 -12.143 -5.028 1.00 0.00 C ATOM 987 CD GLU A 68 5.635 -13.122 -3.871 1.00 0.00 C ATOM 988 OE1 GLU A 68 4.556 -13.594 -3.457 1.00 0.00 O ATOM 989 OE2 GLU A 68 6.745 -13.417 -3.380 1.00 0.00 O ATOM 0 H GLU A 68 6.336 -11.002 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 68 7.491 -10.346 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.674 -10.702 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.929 -10.143 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.799 -12.426 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.533 -12.208 -5.584 1.00 0.00 H new ATOM 996 N VAL A 69 5.469 -7.941 -3.708 1.00 0.00 N ATOM 997 CA VAL A 69 5.212 -6.508 -3.792 1.00 0.00 C ATOM 998 C VAL A 69 6.506 -5.710 -3.680 1.00 0.00 C ATOM 999 O VAL A 69 6.853 -4.941 -4.577 1.00 0.00 O ATOM 1000 CB VAL A 69 4.240 -6.047 -2.690 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.010 -4.546 -2.774 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.923 -6.803 -2.790 1.00 0.00 C ATOM 0 H VAL A 69 4.783 -8.461 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 69 4.759 -6.324 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 69 4.687 -6.268 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.321 -4.239 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.959 -4.025 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.585 -4.297 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.248 -6.464 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.469 -6.616 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.107 -7.871 -2.675 1.00 0.00 H new ATOM 1012 N VAL A 70 7.217 -5.897 -2.573 1.00 0.00 N ATOM 1013 CA VAL A 70 8.474 -5.196 -2.344 1.00 0.00 C ATOM 1014 C VAL A 70 9.299 -5.115 -3.623 1.00 0.00 C ATOM 1015 O VAL A 70 9.545 -4.029 -4.149 1.00 0.00 O ATOM 1016 CB VAL A 70 9.310 -5.886 -1.250 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.679 -5.233 -1.132 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.577 -5.850 0.083 1.00 0.00 C ATOM 0 H VAL A 70 6.943 -6.529 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 70 8.219 -4.189 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 70 9.454 -6.929 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.255 -5.734 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.205 -5.316 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.559 -4.181 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.182 -6.342 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.400 -4.814 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.623 -6.368 -0.012 1.00 0.00 H new ATOM 1028 N LYS A 71 9.724 -6.271 -4.121 1.00 0.00 N ATOM 1029 CA LYS A 71 10.520 -6.333 -5.341 1.00 0.00 C ATOM 1030 C LYS A 71 10.001 -5.344 -6.380 1.00 0.00 C ATOM 1031 O LYS A 71 10.777 -4.618 -7.003 1.00 0.00 O ATOM 1032 CB LYS A 71 10.501 -7.751 -5.916 1.00 0.00 C ATOM 1033 CG LYS A 71 11.218 -8.769 -5.046 1.00 0.00 C ATOM 1034 CD LYS A 71 11.110 -10.170 -5.624 1.00 0.00 C ATOM 1035 CE LYS A 71 12.232 -10.454 -6.611 1.00 0.00 C ATOM 1036 NZ LYS A 71 13.473 -10.907 -5.924 1.00 0.00 N ATOM 0 H LYS A 71 9.530 -7.179 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 71 11.546 -6.064 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.466 -8.066 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.962 -7.740 -6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.268 -8.493 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.793 -8.755 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.141 -10.901 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.148 -10.286 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.909 -11.218 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.444 -9.554 -7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.214 -11.090 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.796 -10.168 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.277 -11.780 -5.393 1.00 0.00 H new ATOM 1050 N LEU A 72 8.686 -5.321 -6.563 1.00 0.00 N ATOM 1051 CA LEU A 72 8.062 -4.421 -7.526 1.00 0.00 C ATOM 1052 C LEU A 72 8.152 -2.973 -7.055 1.00 0.00 C ATOM 1053 O LEU A 72 8.373 -2.062 -7.854 1.00 0.00 O ATOM 1054 CB LEU A 72 6.599 -4.808 -7.743 1.00 0.00 C ATOM 1055 CG LEU A 72 6.352 -6.020 -8.643 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.027 -6.681 -8.295 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.377 -5.610 -10.108 1.00 0.00 C ATOM 0 H LEU A 72 8.030 -5.916 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 72 8.599 -4.511 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.148 -5.005 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.077 -3.951 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 72 7.151 -6.743 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.868 -7.541 -8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.046 -7.010 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.216 -5.966 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.200 -6.485 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.599 -4.869 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.350 -5.182 -10.350 1.00 0.00 H new ATOM 1069 N ILE A 73 7.982 -2.768 -5.753 1.00 0.00 N ATOM 1070 CA ILE A 73 8.047 -1.431 -5.176 1.00 0.00 C ATOM 1071 C ILE A 73 9.412 -0.795 -5.415 1.00 0.00 C ATOM 1072 O ILE A 73 9.520 0.416 -5.612 1.00 0.00 O ATOM 1073 CB ILE A 73 7.764 -1.457 -3.662 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.315 -1.872 -3.399 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.051 -0.096 -3.046 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.064 -2.326 -1.978 1.00 0.00 C ATOM 0 H ILE A 73 7.798 -3.510 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 73 7.280 -0.836 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 73 8.422 -2.191 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.658 -1.032 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.047 -2.678 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.846 -0.130 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.097 0.163 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.415 0.656 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.016 -2.605 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.695 -3.186 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.300 -1.514 -1.290 1.00 0.00 H new ATOM 1088 N LYS A 74 10.454 -1.620 -5.399 1.00 0.00 N ATOM 1089 CA LYS A 74 11.814 -1.140 -5.617 1.00 0.00 C ATOM 1090 C LYS A 74 12.174 -1.181 -7.099 1.00 0.00 C ATOM 1091 O LYS A 74 13.113 -1.868 -7.501 1.00 0.00 O ATOM 1092 CB LYS A 74 12.809 -1.983 -4.816 1.00 0.00 C ATOM 1093 CG LYS A 74 12.587 -1.922 -3.315 1.00 0.00 C ATOM 1094 CD LYS A 74 13.515 -2.871 -2.575 1.00 0.00 C ATOM 1095 CE LYS A 74 14.959 -2.393 -2.630 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.626 -2.787 -3.901 1.00 0.00 N ATOM 0 H LYS A 74 10.383 -2.625 -5.237 1.00 0.00 H new ATOM 0 HA LYS A 74 11.867 -0.106 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.740 -3.020 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.821 -1.645 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.751 -0.903 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.551 -2.175 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.198 -2.955 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.443 -3.867 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.987 -1.308 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.511 -2.808 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.496 -3.316 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.984 -3.386 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.865 -1.934 -4.447 1.00 0.00 H new ATOM 1110 N SER A 75 11.422 -0.440 -7.907 1.00 0.00 N ATOM 1111 CA SER A 75 11.661 -0.393 -9.344 1.00 0.00 C ATOM 1112 C SER A 75 11.831 1.046 -9.821 1.00 0.00 C ATOM 1113 O SER A 75 10.946 1.881 -9.639 1.00 0.00 O ATOM 1114 CB SER A 75 10.505 -1.058 -10.096 1.00 0.00 C ATOM 1115 OG SER A 75 10.654 -2.467 -10.117 1.00 0.00 O ATOM 0 H SER A 75 10.642 0.136 -7.590 1.00 0.00 H new ATOM 0 HA SER A 75 12.582 -0.937 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.560 -0.796 -9.621 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.465 -0.678 -11.117 1.00 0.00 H new ATOM 0 HG SER A 75 9.902 -2.868 -10.601 1.00 0.00 H new ATOM 1121 N GLY A 76 12.978 1.328 -10.432 1.00 0.00 N ATOM 1122 CA GLY A 76 13.246 2.667 -10.925 1.00 0.00 C ATOM 1123 C GLY A 76 13.388 3.679 -9.806 1.00 0.00 C ATOM 1124 O GLY A 76 14.214 3.512 -8.910 1.00 0.00 O ATOM 0 H GLY A 76 13.726 0.654 -10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.160 2.656 -11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.438 2.975 -11.589 1.00 0.00 H new ATOM 1128 N ALA A 77 12.581 4.734 -9.859 1.00 0.00 N ATOM 1129 CA ALA A 77 12.621 5.777 -8.842 1.00 0.00 C ATOM 1130 C ALA A 77 11.296 5.864 -8.092 1.00 0.00 C ATOM 1131 O ALA A 77 11.245 6.327 -6.952 1.00 0.00 O ATOM 1132 CB ALA A 77 12.960 7.119 -9.475 1.00 0.00 C ATOM 0 H ALA A 77 11.892 4.889 -10.595 1.00 0.00 H new ATOM 0 HA ALA A 77 13.399 5.519 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.986 7.889 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.934 7.057 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.202 7.374 -10.216 1.00 0.00 H new ATOM 1138 N TYR A 78 10.226 5.416 -8.738 1.00 0.00 N ATOM 1139 CA TYR A 78 8.899 5.445 -8.134 1.00 0.00 C ATOM 1140 C TYR A 78 8.150 4.143 -8.400 1.00 0.00 C ATOM 1141 O TYR A 78 8.633 3.271 -9.122 1.00 0.00 O ATOM 1142 CB TYR A 78 8.096 6.629 -8.674 1.00 0.00 C ATOM 1143 CG TYR A 78 8.355 6.921 -10.135 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.910 6.054 -11.126 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.045 8.061 -10.524 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.146 6.316 -12.462 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.284 8.332 -11.858 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.832 7.456 -12.823 1.00 0.00 C ATOM 1149 OH TYR A 78 9.069 7.721 -14.152 1.00 0.00 O ATOM 0 H TYR A 78 10.251 5.028 -9.681 1.00 0.00 H new ATOM 0 HA TYR A 78 9.020 5.558 -7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.033 6.430 -8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.334 7.516 -8.087 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.371 5.161 -10.847 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.401 8.748 -9.771 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.795 5.631 -13.220 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.821 9.224 -12.143 1.00 0.00 H new ATOM 0 HH TYR A 78 9.563 8.563 -14.235 1.00 0.00 H new ATOM 1159 N VAL A 79 6.964 4.019 -7.811 1.00 0.00 N ATOM 1160 CA VAL A 79 6.145 2.826 -7.985 1.00 0.00 C ATOM 1161 C VAL A 79 4.681 3.191 -8.202 1.00 0.00 C ATOM 1162 O VAL A 79 4.079 3.893 -7.391 1.00 0.00 O ATOM 1163 CB VAL A 79 6.254 1.888 -6.768 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.948 2.643 -5.483 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.324 0.696 -6.929 1.00 0.00 C ATOM 0 H VAL A 79 6.550 4.731 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 79 6.522 2.309 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 79 7.277 1.516 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.030 1.964 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.658 3.461 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.936 3.045 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.414 0.044 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.295 1.046 -7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.595 0.142 -7.828 1.00 0.00 H new ATOM 1175 N ALA A 80 4.114 2.708 -9.303 1.00 0.00 N ATOM 1176 CA ALA A 80 2.719 2.981 -9.626 1.00 0.00 C ATOM 1177 C ALA A 80 1.792 1.977 -8.950 1.00 0.00 C ATOM 1178 O ALA A 80 1.664 0.836 -9.396 1.00 0.00 O ATOM 1179 CB ALA A 80 2.513 2.960 -11.134 1.00 0.00 C ATOM 0 H ALA A 80 4.599 2.126 -9.986 1.00 0.00 H new ATOM 0 HA ALA A 80 2.472 3.974 -9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.467 3.165 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.141 3.721 -11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.783 1.979 -11.525 1.00 0.00 H new ATOM 1185 N LEU A 81 1.148 2.408 -7.871 1.00 0.00 N ATOM 1186 CA LEU A 81 0.232 1.546 -7.131 1.00 0.00 C ATOM 1187 C LEU A 81 -1.217 1.956 -7.373 1.00 0.00 C ATOM 1188 O LEU A 81 -1.542 3.144 -7.396 1.00 0.00 O ATOM 1189 CB LEU A 81 0.546 1.599 -5.635 1.00 0.00 C ATOM 1190 CG LEU A 81 2.001 1.333 -5.245 1.00 0.00 C ATOM 1191 CD1 LEU A 81 2.357 2.084 -3.971 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.242 -0.159 -5.072 1.00 0.00 C ATOM 0 H LEU A 81 1.243 3.349 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 81 0.366 0.525 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.264 2.583 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.085 0.871 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 81 2.645 1.694 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.396 1.883 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.223 3.154 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.707 1.754 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.282 -0.330 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.590 -0.545 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.027 -0.673 -6.009 1.00 0.00 H new ATOM 1204 N THR A 82 -2.085 0.965 -7.551 1.00 0.00 N ATOM 1205 CA THR A 82 -3.500 1.222 -7.790 1.00 0.00 C ATOM 1206 C THR A 82 -4.290 1.202 -6.486 1.00 0.00 C ATOM 1207 O THR A 82 -4.615 0.135 -5.962 1.00 0.00 O ATOM 1208 CB THR A 82 -4.103 0.189 -8.759 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.404 0.222 -10.008 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.581 0.463 -8.992 1.00 0.00 C ATOM 0 H THR A 82 -1.833 -0.023 -7.534 1.00 0.00 H new ATOM 0 HA THR A 82 -3.570 2.213 -8.239 1.00 0.00 H new ATOM 0 HB THR A 82 -3.999 -0.799 -8.311 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.962 -0.181 -10.706 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.985 -0.280 -9.680 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.115 0.407 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.704 1.458 -9.420 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.597 2.385 -5.967 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.351 2.503 -4.724 1.00 0.00 C ATOM 1220 C LEU A 83 -6.788 2.937 -4.997 1.00 0.00 C ATOM 1221 O LEU A 83 -7.029 3.903 -5.723 1.00 0.00 O ATOM 1222 CB LEU A 83 -4.674 3.504 -3.787 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.189 3.265 -3.509 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -2.679 4.240 -2.459 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -2.954 1.829 -3.064 1.00 0.00 C ATOM 0 H LEU A 83 -4.335 3.277 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.371 1.523 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.788 4.502 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.207 3.499 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.635 3.434 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.621 4.055 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.812 5.261 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.238 4.103 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.892 1.677 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.520 1.633 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.281 1.147 -3.849 1.00 0.00 H new ATOM 1237 N LEU A 84 -7.739 2.219 -4.411 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.153 2.531 -4.589 1.00 0.00 C ATOM 1239 C LEU A 84 -9.759 3.068 -3.296 1.00 0.00 C ATOM 1240 O LEU A 84 -9.143 2.997 -2.233 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.916 1.286 -5.045 1.00 0.00 C ATOM 1242 CG LEU A 84 -10.039 0.160 -4.018 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -10.929 0.588 -2.861 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -10.583 -1.102 -4.672 1.00 0.00 C ATOM 0 H LEU A 84 -7.557 1.417 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.237 3.302 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.919 1.589 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.425 0.888 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.046 -0.057 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.005 -0.226 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.499 1.464 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.922 0.833 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.664 -1.893 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.568 -0.898 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.908 -1.420 -5.466 1.00 0.00 H new ATOM 1256 N GLY A 85 -10.972 3.604 -3.395 1.00 0.00 N ATOM 1257 CA GLY A 85 -11.642 4.143 -2.227 1.00 0.00 C ATOM 1258 C GLY A 85 -11.649 3.172 -1.063 1.00 0.00 C ATOM 1259 O GLY A 85 -12.318 2.140 -1.111 1.00 0.00 O ATOM 0 H GLY A 85 -11.502 3.674 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.149 5.066 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.669 4.401 -2.487 1.00 0.00 H new ATOM 1263 N SER A 86 -10.902 3.502 -0.014 1.00 0.00 N ATOM 1264 CA SER A 86 -10.821 2.649 1.166 1.00 0.00 C ATOM 1265 C SER A 86 -11.712 3.181 2.284 1.00 0.00 C ATOM 1266 O SER A 86 -12.168 2.425 3.142 1.00 0.00 O ATOM 1267 CB SER A 86 -9.374 2.553 1.653 1.00 0.00 C ATOM 1268 OG SER A 86 -9.298 1.875 2.895 1.00 0.00 O ATOM 0 H SER A 86 -10.344 4.354 0.043 1.00 0.00 H new ATOM 0 HA SER A 86 -11.171 1.654 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.771 2.029 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.954 3.554 1.755 1.00 0.00 H new ATOM 0 HG SER A 86 -8.696 1.106 2.812 1.00 0.00 H new ATOM 1274 N SER A 87 -11.956 4.487 2.267 1.00 0.00 N ATOM 1275 CA SER A 87 -12.789 5.123 3.281 1.00 0.00 C ATOM 1276 C SER A 87 -14.203 4.550 3.259 1.00 0.00 C ATOM 1277 O SER A 87 -14.811 4.408 2.199 1.00 0.00 O ATOM 1278 CB SER A 87 -12.836 6.635 3.058 1.00 0.00 C ATOM 1279 OG SER A 87 -13.940 7.216 3.731 1.00 0.00 O ATOM 0 H SER A 87 -11.589 5.126 1.562 1.00 0.00 H new ATOM 0 HA SER A 87 -12.348 4.921 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.910 7.087 3.414 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.904 6.846 1.991 1.00 0.00 H new ATOM 0 HG SER A 87 -13.947 8.183 3.574 1.00 0.00 H new ATOM 1285 N SER A 88 -14.719 4.221 4.439 1.00 0.00 N ATOM 1286 CA SER A 88 -16.060 3.659 4.557 1.00 0.00 C ATOM 1287 C SER A 88 -16.878 4.420 5.596 1.00 0.00 C ATOM 1288 O SER A 88 -16.327 5.095 6.464 1.00 0.00 O ATOM 1289 CB SER A 88 -15.984 2.179 4.935 1.00 0.00 C ATOM 1290 OG SER A 88 -15.635 1.384 3.816 1.00 0.00 O ATOM 0 H SER A 88 -14.229 4.334 5.327 1.00 0.00 H new ATOM 0 HA SER A 88 -16.554 3.754 3.590 1.00 0.00 H new ATOM 0 HB2 SER A 88 -15.248 2.040 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.945 1.852 5.332 1.00 0.00 H new ATOM 0 HG SER A 88 -15.591 0.442 4.084 1.00 0.00 H new ATOM 1296 N GLY A 89 -18.200 4.306 5.499 1.00 0.00 N ATOM 1297 CA GLY A 89 -19.074 4.987 6.436 1.00 0.00 C ATOM 1298 C GLY A 89 -20.371 5.439 5.794 1.00 0.00 C ATOM 1299 O GLY A 89 -21.455 4.970 6.140 1.00 0.00 O ATOM 0 H GLY A 89 -18.680 3.754 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.297 4.321 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -18.556 5.852 6.849 1.00 0.00 H new ATOM 1303 N PRO A 90 -20.268 6.374 4.838 1.00 0.00 N ATOM 1304 CA PRO A 90 -21.433 6.910 4.128 1.00 0.00 C ATOM 1305 C PRO A 90 -22.067 5.884 3.194 1.00 0.00 C ATOM 1306 O PRO A 90 -23.099 6.146 2.577 1.00 0.00 O ATOM 1307 CB PRO A 90 -20.852 8.077 3.324 1.00 0.00 C ATOM 1308 CG PRO A 90 -19.415 7.731 3.139 1.00 0.00 C ATOM 1309 CD PRO A 90 -19.008 6.978 4.375 1.00 0.00 C ATOM 0 HA PRO A 90 -22.229 7.200 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -21.359 8.189 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -20.967 9.021 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -19.272 7.122 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -18.811 8.629 3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -18.257 6.220 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -18.580 7.641 5.127 1.00 0.00 H new ATOM 1317 N SER A 91 -21.442 4.715 3.097 1.00 0.00 N ATOM 1318 CA SER A 91 -21.944 3.650 2.236 1.00 0.00 C ATOM 1319 C SER A 91 -23.452 3.489 2.394 1.00 0.00 C ATOM 1320 O SER A 91 -23.951 3.261 3.496 1.00 0.00 O ATOM 1321 CB SER A 91 -21.241 2.330 2.560 1.00 0.00 C ATOM 1322 OG SER A 91 -21.596 1.867 3.852 1.00 0.00 O ATOM 0 H SER A 91 -20.588 4.481 3.603 1.00 0.00 H new ATOM 0 HA SER A 91 -21.732 3.922 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.508 1.580 1.815 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.161 2.466 2.503 1.00 0.00 H new ATOM 0 HG SER A 91 -22.421 2.308 4.142 1.00 0.00 H new ATOM 1328 N SER A 92 -24.173 3.609 1.284 1.00 0.00 N ATOM 1329 CA SER A 92 -25.626 3.480 1.298 1.00 0.00 C ATOM 1330 C SER A 92 -26.046 2.121 1.850 1.00 0.00 C ATOM 1331 O SER A 92 -25.372 1.115 1.632 1.00 0.00 O ATOM 1332 CB SER A 92 -26.190 3.667 -0.112 1.00 0.00 C ATOM 1333 OG SER A 92 -25.793 2.607 -0.964 1.00 0.00 O ATOM 0 H SER A 92 -23.775 3.795 0.363 1.00 0.00 H new ATOM 0 HA SER A 92 -26.028 4.257 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.278 3.715 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 92 -25.845 4.616 -0.522 1.00 0.00 H new ATOM 0 HG SER A 92 -26.167 2.749 -1.859 1.00 0.00 H new ATOM 1339 N GLY A 93 -27.165 2.101 2.568 1.00 0.00 N ATOM 1340 CA GLY A 93 -27.657 0.862 3.140 1.00 0.00 C ATOM 1341 C GLY A 93 -27.958 -0.185 2.086 1.00 0.00 C ATOM 1342 O GLY A 93 -27.893 -1.384 2.356 1.00 0.00 O ATOM 0 H GLY A 93 -27.739 2.921 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -26.917 0.469 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -28.561 1.065 3.715 1.00 0.00 H new TER 1346 GLY A 93